(E)-5-formyloxypent-3-enoic acid

C6H8O4 — CID 55302724

IUPAC(E)-5-formyloxypent-3-enoic acid
SMILESO=COC/C=C/CC(=O)O
InChIInChI=1S/C6H8O4/c7-5-10-4-2-1-3-6(8)9/h1-2,5H,3-4H2,(H,8,9)/b2-1+
InChIKeyKPOIDFFJFWTLPB-OWOJBTEDSA-N
MW144.13 g/mol
LogP0.19
Rot. Bonds5

About (E)-5-formyloxypent-3-enoic acid

(E)-5-formyloxypent-3-enoic acid (PubChem CID 55302724) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (E)-5-formyloxypent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-formyloxypent-3-enoic acid
PubChem CID55302724
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(E)-5-formyloxypent-3-enoic acid
SMILESO=COC/C=C/CC(=O)O
InChIInChI=1S/C6H8O4/c7-5-10-4-2-1-3-6(8)9/h1-2,5H,3-4H2,(H,8,9)/b2-1+
InChIKeyKPOIDFFJFWTLPB-OWOJBTEDSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-6-oxohept-3-enedioic acid
CID 15386024
4-oxobut-2-enyl formate
CID 175038246
[(E)-3-chloroprop-2-enyl] formate
CID 19841665
2-cyano-7-formyloxyhept-5-enoic acid;methane
CID 158919627
(Z)-5-aminopent-3-enoic acid;hydrochloride
CID 51051211
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
(E)-7,7-dimethyloct-3-enoic acid
CID 155169121
(E)-6-aminohex-3-enoic acid
CID 19017972
pent-2-enedioic acid
CID 87399612
(E)-4-sulfanylbut-3-enoic acid
CID 87827662
(3E)-octa-3,7-dienoic acid
CID 12688314
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510

Frequently Asked Questions

What is the IUPAC name of (E)-5-formyloxypent-3-enoic acid?
The IUPAC name of (E)-5-formyloxypent-3-enoic acid (CID 55302724) is (E)-5-formyloxypent-3-enoic acid.
What is the SMILES notation for (E)-5-formyloxypent-3-enoic acid?
The canonical SMILES for (E)-5-formyloxypent-3-enoic acid is O=COC/C=C/CC(=O)O.
What is the InChIKey of (E)-5-formyloxypent-3-enoic acid?
The InChIKey is KPOIDFFJFWTLPB-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H8O4/c7-5-10-4-2-1-3-6(8)9/h1-2,5H,3-4H2,(H,8,9)/b2-1+.
What are the key properties of (E)-5-formyloxypent-3-enoic acid?
(E)-5-formyloxypent-3-enoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-formyloxypent-3-enoic acid is sourced from PubChem (CID 55302724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).